3-Cyclohexene-1-carboxaldehyde, 4-methyl-

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  • Identifiers

    CAS number
    7560-64-7

    Molecular formula
    C8H12O

    SMILES
    CC1=CCC(CC1)C=O

  • Odor profile

    Fragrance
    Green 63.48%
    Aldehydic 57.56%
    Herbal 56.43%
    Floral 44.51%
    Fresh 42.66%
    Citrus 41.58%
    Spicy 36.04%
    Fruity 35.09%
    Leafy 33.04%
    Ozone 32.4%

     

    Flavor
    Fruity 35.07%
    Fatty 33.18%
    Minty 31.8%
    Spice 31.56%
    Spicy 29.33%
    Green 29.16%
    Mint 27.85%
    Cherry 25.86%
    Fresh 22.87%
    Herbal 21.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.89 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 70.3 ˚C est.

  • Synonyms

    • 4-Methylcyclohex-3-enecarbaldehyde
    • 7560-64-7
    • 4-methylcyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 4-methyl-
    • 4-Methyl-3-cyclohexene-1-carboxaldehyde
    • EINECS 231-452-9
    • DTXSID60884404
    • SCHEMBL1782001
    • DTXCID801023845
    • 1-methylcyclohexene-4-carboxaldehyde
    • 4-methyl-3-cyclohexenecarboxaldehyde
    • STL560869
    • AKOS022504461
    • 4-methyl-cyclohex-3-ene-1-carbaldehyde
    • 4-Methyl-3-cyclohexene-1-carbaldehyde #
    • 1-Cyclohexene-4-carboxaldehyde, 1-methyl-
    • NS00047146
    • 61426-17-3

  • Applications

    3-Cyclohexene-1-carboxaldehyde, 4-methyl- (CAS number: 7560-64-7) is typically used as an intermediate in fragrance chemistry and flavor/aroma applications, serving as a building block for a range of aroma compounds in perfumery and food flavor development; it can also be employed in cosmetics and personal care formulations as a fragrance ingredient, may be evaluated for industrial manufacturing as a precursor to specialty chemicals, and can function as a building block for aroma-related derivatives used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 855.78
    methanol 302.62
    isopropanol 789.49
    water 1.06
    ethyl acetate 1697.14
    n-propanol 714.41
    acetone 1819.25
    n-butanol 666.26
    acetonitrile 1546.18
    DMF 1107.76
    toluene 330.7
    isobutanol 508.72
    1,4-dioxane 1493.3
    methyl acetate 1406.12
    THF 1954.45
    2-butanone 1612.03
    n-pentanol 345.74
    sec-butanol 594.87
    n-hexane 43.56
    ethylene glycol 110.22
    NMP 849.01
    cyclohexane 80.78
    DMSO 1208.14
    n-butyl acetate 781.78
    n-octanol 187.62
    chloroform 2786.1
    n-propyl acetate 645.23
    acetic acid 862.35
    dichloromethane 2941.49
    cyclohexanone 1431.36
    propylene glycol 199.61
    isopropyl acetate 759.44
    DMAc 705.76
    2-ethoxyethanol 468.03
    isopentanol 555.27
    n-heptane 40.29
    ethyl formate 756.03
    1,2-dichloroethane 1623.76
    n-hexanol 420.42
    2-methoxyethanol 823.9
    isobutyl acetate 341.23
    tetrachloromethane 325.54
    n-pentyl acetate 344.87
    transcutol 3065.37
    n-heptanol 179.63
    ethylbenzene 167.5
    MIBK 554.47
    2-propoxyethanol 673.73
    tert-butanol 780.01
    MTBE 687.29
    2-butoxyethanol 382.35
    propionic acid 795.55
    o-xylene 193.08
    formic acid 192.08
    diethyl ether 944.73
    m-xylene 235.45
    p-xylene 219.5
    chlorobenzene 631.71
    dimethyl carbonate 344.08
    n-octane 17.32
    formamide 404.89
    cyclopentanone 1817.0
    2-pentanone 1150.32
    anisole 460.84
    cyclopentyl methyl ether 718.04
    gamma-butyrolactone 2051.02
    1-methoxy-2-propanol 717.7
    pyridine 1335.34
    3-pentanone 771.06
    furfural 1356.38
    n-dodecane 15.58
    diethylene glycol 436.68
    diisopropyl ether 233.84
    tert-amyl alcohol 534.02
    acetylacetone 1187.34
    n-hexadecane 17.9
    acetophenone 411.6
    methyl propionate 954.88
    isopentyl acetate 594.54
    trichloroethylene 3292.84
    n-nonanol 162.15
    cyclohexanol 469.76
    benzyl alcohol 302.78
    2-ethylhexanol 248.3
    isooctanol 156.68
    dipropyl ether 366.67
    1,2-dichlorobenzene 517.5
    ethyl lactate 211.39
    propylene carbonate 957.29
    n-methylformamide 704.84
    2-pentanol 467.33
    n-pentane 49.35
    1-propoxy-2-propanol 532.62
    1-methoxy-2-propyl acetate 706.44
    2-(2-methoxypropoxy) propanol 434.73
    mesitylene 144.55
    ε-caprolactone 1164.6
    p-cymene 121.26
    epichlorohydrin 2278.96
    1,1,1-trichloroethane 1635.48
    2-aminoethanol 253.11
    morpholine-4-carbaldehyde 993.74
    sulfolane 1453.0
    2,2,4-trimethylpentane 31.15
    2-methyltetrahydrofuran 1504.03
    n-hexyl acetate 525.41
    isooctane 32.43
    2-(2-butoxyethoxy)ethanol 693.8
    sec-butyl acetate 417.94
    tert-butyl acetate 675.47
    decalin 43.87
    glycerin 238.08
    diglyme 1237.29
    acrylic acid 597.16
    isopropyl myristate 189.61
    n-butyric acid 1190.68
    acetyl acetate 783.75
    di(2-ethylhexyl) phthalate 161.96
    ethyl propionate 564.5
    nitromethane 1937.81
    1,2-diethoxyethane 873.54
    benzonitrile 568.64
    trioctyl phosphate 111.63
    1-bromopropane 828.13
    gamma-valerolactone 1808.01
    n-decanol 121.99
    triethyl phosphate 164.02
    4-methyl-2-pentanol 240.63
    propionitrile 968.5
    vinylene carbonate 817.75
    1,1,2-trichlorotrifluoroethane 895.11
    DMS 461.6
    cumene 115.43
    2-octanol 125.57
    2-hexanone 568.03
    octyl acetate 236.46
    limonene 181.84
    1,2-dimethoxyethane 840.91
    ethyl orthosilicate 158.49
    tributyl phosphate 165.3
    diacetone alcohol 617.54
    N,N-dimethylaniline 220.09
    acrylonitrile 1109.45
    aniline 483.76
    1,3-propanediol 468.68
    bromobenzene 687.59
    dibromomethane 1692.96
    1,1,2,2-tetrachloroethane 1909.32
    2-methyl-cyclohexyl acetate 309.04
    tetrabutyl urea 171.35
    diisobutyl methanol 165.98
    2-phenylethanol 324.98
    styrene 235.73
    dioctyl adipate 276.62
    dimethyl sulfate 443.33
    ethyl butyrate 542.27
    methyl lactate 301.6
    butyl lactate 260.13
    diethyl carbonate 334.62
    propanediol butyl ether 365.3
    triethyl orthoformate 286.33
    p-tert-butyltoluene 118.13
    methyl 4-tert-butylbenzoate 319.32
    morpholine 1703.15
    tert-butylamine 436.71
    n-dodecanol 93.01
    dimethoxymethane 673.41
    ethylene carbonate 647.54
    cyrene 292.23
    2-ethoxyethyl acetate 605.24
    2-ethylhexyl acetate 410.93
    1,2,4-trichlorobenzene 598.48
    4-methylpyridine 1078.03
    dibutyl ether 323.47
    2,6-dimethyl-4-heptanol 165.98
    DEF 888.39
    dimethyl isosorbide 688.81
    tetrachloroethylene 1081.84
    eugenol 322.94
    triacetin 516.87
    span 80 351.09
    1,4-butanediol 144.23
    1,1-dichloroethane 1907.25
    2-methyl-1-pentanol 312.08
    methyl formate 529.74
    2-methyl-1-butanol 473.03
    n-decane 26.2
    butyronitrile 928.83
    3,7-dimethyl-1-octanol 213.62
    1-chlorooctane 145.25
    1-chlorotetradecane 55.37
    n-nonane 25.37
    undecane 19.56
    tert-butylcyclohexane 42.01
    cyclooctane 25.33
    cyclopentanol 591.86
    tetrahydropyran 1512.45
    tert-amyl methyl ether 391.98
    2,5,8-trioxanonane 734.62
    1-hexene 226.96
    2-isopropoxyethanol 356.58
    2,2,2-trifluoroethanol 293.88
    methyl butyrate 747.37

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction